(1s 2 2s 1 5p 1 ) 1 P Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | 1.154302 | 6.06641961 |
| 2 | 3p | 2.065248 | -5.91739670 |
| 3 | 4p | 1.507036 | 6.25160246 |
| 4 | 5p | 1.569710 | -7.87672196 |
| 5 | 2p | 7.488752 | .02663780 |
| 6 | 5p | 10.726342 | .00129242 |
| 7 | 4p | 22.625891 | -.00039555 |
| 8 | 5p | .990656 | -.01492319 |
| 9 | 5p | 74.135097 | -.00000807 |
| ORB.ENERGY,a.u. | -1.317700 | ||
| NORM | 1.000005 | < R > | 4.431574 | < R2 > | 22.112702 | < 1/R > | .330470 | < 1/R**2 > | .382977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.202677 | .39280437 |
| 2 | 2s | 4.526141 | -.78394097 |
| 3 | 3s | 5.507488 | -.30231793 |
| 4 | 5s | 9.164808 | -.02637892 |
| 5 | 4s | 17.806688 | .01254550 |
| 6 | 5s | 22.572485 | -.00349114 |
| 7 | 3s | 36.234441 | .00017743 |
| 8 | 5s | 1.480341 | .00251192 |
| 9 | 4s | 1.279014 | -.00256251 |
| ORB.ENERGY,a.u. | -10.698000 | ||
| NORM | 1.000000 | < R > | .617502 | < R2 > | .444684 | < 1/R > | 2.372112 | < 1/R**2 > | 22.709369 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.451502 | .94283455 |
| 2 | 1s | 17.141335 | .04913325 |
| 3 | 2s | 12.377726 | .01224933 |
| 4 | 3s | 8.159380 | .00248526 |
| 5 | 4s | 43.223872 | -.00065163 |
| 6 | 5s | 57.390751 | .00024116 |
| 7 | 5s | 5.482728 | .00018784 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141439 | < R2 > | .026815 | < 1/R > | 10.674892 | < 1/R**2 > | 229.785721 |
Total Energy= -126.55519786 a.u.
Kinetic Energy= 126.55003183 a.u.
Potential Energy= -253.10522970 a.u.
Virial Ratio = -2.00004082